#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ron s SER 2 N 0.00 -0.24 0.24 7.83 0.15 -1.25 -4.50 113.70 115.93 2ron s SER 2 Ca 0.00 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.66 2ron s SER 2 Cb 0.00 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2ron s SER 2 CO 0.00 -0.67 -0.03 -1.58 1.20 0.00 0.00 173.24 172.16 2ron s GLN 3 N -2.63 2.25 -0.29 5.44 2.00 -1.13 -4.02 119.66 121.28 2ron s GLN 3 Ca -0.04 -1.35 -0.21 0.00 -2.00 0.00 0.00 55.36 51.76 2ron s GLN 3 Cb -0.01 -2.18 0.13 0.00 0.80 0.00 0.00 33.01 31.76 2ron s GLN 3 CO -0.04 0.39 0.99 -0.48 -0.50 0.00 0.00 175.29 175.66 2ron s LEU 4 N -3.39 -0.50 -0.12 3.68 2.34 -1.26 -0.37 118.68 119.06 2ron s LEU 4 Ca 0.29 0.87 -0.05 0.00 0.06 0.00 0.00 54.13 55.31 2ron s LEU 4 Cb -0.07 1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 47.36 2ron s LEU 4 CO 0.19 -0.14 0.06 0.12 -1.06 0.00 0.00 176.35 175.51 2ron s PHE 5 N 0.78 3.33 0.15 3.48 5.36 -0.58 -4.95 117.98 125.54 2ron s PHE 5 Ca -0.03 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 2ron s PHE 5 Cb -0.04 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 2ron s PHE 5 CO -0.11 0.48 -0.00 0.15 -1.46 0.00 0.00 175.22 174.28 2ron s LYS 6 N -0.64 1.02 -0.37 10.12 3.01 -1.26 -0.79 119.74 130.83 2ron s LYS 6 Ca 0.11 -1.47 -0.00 0.00 -1.01 0.00 0.00 55.97 53.60 2ron s LYS 6 Cb -0.12 -0.16 0.18 0.00 -1.01 0.00 0.00 37.83 36.72 2ron s LYS 6 CO 0.02 -0.13 0.83 0.45 0.51 0.00 0.00 175.35 177.04 2ron s SER 7 N -3.12 -0.96 0.55 2.83 0.15 0.30 -4.96 113.70 108.49 2ron s SER 7 Ca 0.21 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 2ron s SER 7 Cb 0.06 1.22 0.02 0.00 -1.71 0.00 0.00 66.02 65.61 2ron s SER 7 CO 0.02 -0.10 0.81 0.72 1.20 0.00 0.00 173.24 175.88 2ron s PHE 8 N 1.90 3.09 -0.27 3.44 -0.71 -1.26 -2.12 117.98 122.06 2ron s PHE 8 Ca 0.15 0.31 -0.00 0.00 -1.04 0.00 0.00 56.93 56.35 2ron s PHE 8 Cb -0.01 -2.67 0.15 0.00 -1.21 0.00 0.00 43.02 39.29 2ron s PHE 8 CO -0.11 -0.77 0.39 0.34 -1.34 0.00 0.00 175.22 173.73 2ron s ASP 9 N -4.34 0.44 -1.67 1.98 -1.08 -1.26 -4.88 116.67 105.87 2ron s ASP 9 Ca 0.54 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 2ron s ASP 9 Cb -0.10 1.06 0.00 0.00 -1.46 0.00 0.00 42.92 42.41 2ron s ASP 9 CO 0.41 -0.33 0.00 0.00 0.52 0.00 0.00 175.17 175.77 2ron n ALA 10 N 5.35 -0.24 -3.84 3.66 0.00 -1.26 -3.25 120.51 120.94 2ron n ALA 10 Ca -0.01 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 2ron n ALA 10 Cb 0.49 -1.67 0.03 0.00 0.00 0.00 0.00 19.45 18.30 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.54 -4.87 0.00 0.00 3.41 -1.26 -4.94 113.62 105.43 2ron n SER 11 Ca -0.16 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2ron n SER 11 Cb 0.52 -2.67 0.00 0.00 -0.26 0.00 0.00 64.21 61.80 2ron n SER 11 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ron n GLU 12 N -4.52 0.00 -3.68 4.33 1.02 -1.20 -4.83 120.64 111.75 2ron n GLU 12 Ca -0.10 0.47 -0.14 0.00 -0.02 0.00 0.00 57.16 57.37 2ron n GLU 12 Cb 0.58 -0.97 -0.14 0.00 -0.02 0.00 0.00 31.44 30.90 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ron s LYS 13 N -0.99 0.14 -0.01 3.49 1.02 -1.26 -4.72 119.74 117.41 2ron s LYS 13 Ca 0.00 0.64 -0.30 0.00 0.02 0.00 0.00 55.97 56.33 2ron s LYS 13 Cb 0.00 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 2ron s LYS 13 CO 0.00 -0.25 1.22 0.99 -0.92 0.00 0.00 175.35 176.39 2ron s THR 14 N 2.03 4.13 -0.39 2.17 2.01 -1.23 0.04 115.64 124.41 2ron s THR 14 Ca -0.02 1.50 0.03 0.00 0.31 0.00 0.00 61.69 63.50 2ron s THR 14 Cb -0.12 -3.96 0.11 0.00 0.01 0.00 0.00 72.50 68.55 2ron s THR 14 CO -0.08 0.04 0.14 -1.58 -0.69 0.00 0.00 174.62 172.45 2ron s GLN 15 N 1.81 1.38 -0.76 4.92 0.74 -0.85 -0.82 119.66 126.08 2ron s GLN 15 Ca 0.58 -1.89 -0.18 0.00 0.05 0.00 0.00 55.36 53.92 2ron s GLN 15 Cb -0.27 -2.80 0.14 0.00 1.10 0.00 0.00 33.01 31.17 2ron s GLN 15 CO 0.25 -1.03 0.88 -1.17 -0.55 0.00 0.00 175.29 173.67 2ron s LEU 16 N 0.70 5.50 0.58 3.68 0.20 0.33 -1.95 118.68 127.71 2ron s LEU 16 Ca 0.13 -1.87 0.06 0.00 0.69 0.00 0.00 54.13 53.14 2ron s LEU 16 Cb -0.21 -2.32 0.06 0.00 -0.43 0.00 0.00 46.19 43.29 2ron s LEU 16 CO -0.09 -1.01 0.54 0.27 -0.29 0.00 0.00 176.35 175.78 2ron s ILE 17 N 2.24 1.65 -0.37 6.68 -4.36 -0.37 -1.97 121.20 124.70 2ron s ILE 17 Ca 0.21 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.26 2ron s ILE 17 Cb -0.14 -2.00 0.18 0.00 1.25 0.00 0.00 42.46 41.75 2ron s ILE 17 CO -0.02 0.00 0.77 0.00 0.24 0.00 0.00 174.94 175.93 2ron n PHE 19 N 4.27 -2.33 -0.56 0.00 3.72 -1.26 -4.70 117.46 116.59 2ron n PHE 19 Ca 0.09 0.80 -0.04 0.00 -0.05 0.00 0.00 57.45 58.25 2ron n PHE 19 Cb 0.59 -4.14 0.03 0.00 -0.94 0.00 0.00 39.48 35.03 2ron n PHE 19 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ron n PRO 20 N -3.52 -1.31 -4.13 -1.08 -0.04 -1.26 -4.92 135.00 118.73 2ron n PRO 20 Ca -0.11 -0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 62.98 2ron n PRO 20 Cb 0.62 -0.22 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 2ron n PRO 20 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ron s PHE 21 N -1.27 1.05 -0.02 0.54 -0.71 -1.26 -5.11 117.98 111.20 2ron s PHE 21 Ca 0.10 -1.25 -0.01 0.00 -1.04 0.00 0.00 56.93 54.72 2ron s PHE 21 Cb -0.01 -0.26 -0.00 0.00 -1.21 0.00 0.00 43.02 41.53 2ron s PHE 21 CO 0.07 -0.92 -0.02 0.00 -1.34 0.00 0.00 175.22 173.01 2ron h ALA 22 N 2.29 0.00 -0.50 1.99 0.00 -2.00 -3.43 119.26 117.62 2ron h ALA 22 Ca -0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ron h ALA 22 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2ron h ALA 22 CO 0.42 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2ron n GLY 23 N 1.79 3.21 0.00 0.00 0.00 -1.26 -2.31 105.19 106.63 2ron n GLY 23 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2ron n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 24 N 0.00 0.00 0.30 -0.02 0.00 -1.26 -4.57 105.19 99.64 2ron n GLY 24 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ron n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ron h TYR 25 N 0.00 0.08 0.38 1.61 -0.00 -1.89 -1.53 116.97 115.62 2ron h TYR 25 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2ron h TYR 25 Cb 0.98 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.68 2ron h TYR 25 CO 0.00 0.05 -0.18 1.03 -0.00 0.00 0.00 178.16 179.05 2ron h SER 26 N 0.08 -0.44 -0.96 0.10 0.87 -1.73 0.05 113.55 111.53 2ron h SER 26 Ca 0.10 0.02 0.23 0.00 -1.23 0.00 0.00 61.79 60.90 2ron h SER 26 Cb 0.28 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 2ron h SER 26 CO -0.01 -0.03 0.64 0.00 -0.53 0.00 0.00 176.83 176.89 2ron h ALA 27 N -1.21 2.27 0.04 6.23 0.00 -1.69 0.24 119.26 125.14 2ron h ALA 27 Ca -0.05 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2ron h ALA 27 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2ron h ALA 27 CO 0.09 -0.60 -1.05 1.03 0.00 0.00 0.00 179.25 178.72 2ron h SER 28 N 0.38 0.15 0.14 0.00 0.87 -1.32 -3.25 113.55 110.51 2ron h SER 28 Ca 0.52 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2ron h SER 28 Cb 1.35 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2ron h SER 28 CO -0.21 1.10 -0.28 -0.26 -0.53 0.00 0.00 176.83 176.65 2ron h PHE 29 N 0.03 0.26 0.07 2.24 -1.00 0.15 -1.89 116.94 116.81 2ron h PHE 29 Ca -0.05 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.69 2ron h PHE 29 Cb 1.79 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 41.24 2ron h PHE 29 CO 0.02 0.50 -0.42 0.00 -1.61 0.00 0.00 178.31 176.80 2ron h ARG 30 N 0.21 -0.56 0.00 1.51 2.47 -1.26 0.56 114.38 117.31 2ron h ARG 30 Ca 0.03 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2ron h ARG 30 Cb 0.62 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2ron h ARG 30 CO 0.04 -0.38 -0.00 -1.00 0.56 0.00 0.00 179.97 179.20 2ron h PRO 31 N -0.59 -0.00 -0.33 0.04 0.13 -1.71 -0.36 132.00 129.18 2ron h PRO 31 Ca -0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2ron h PRO 31 Cb 0.60 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.65 2ron h PRO 31 CO -0.24 0.49 -0.46 1.25 -0.23 0.00 0.00 178.00 178.80 2ron h LEU 32 N -0.49 -1.52 -0.85 1.56 7.12 -1.31 -0.72 115.31 119.10 2ron h LEU 32 Ca -0.00 0.21 -0.11 0.00 0.13 0.00 0.00 57.88 58.11 2ron h LEU 32 Cb 0.49 0.64 -0.01 0.00 -0.53 0.00 0.00 40.66 41.24 2ron h LEU 32 CO 0.00 -0.40 -0.36 0.45 -0.13 0.00 0.00 178.44 178.00 2ron h HIS 33 N -0.40 0.48 -0.93 1.25 3.86 -0.97 -1.92 115.15 116.52 2ron h HIS 33 Ca 0.10 -0.12 0.25 0.00 -1.16 0.00 0.00 60.37 59.44 2ron h HIS 33 Cb 0.61 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.92 2ron h HIS 33 CO -0.61 0.72 0.65 0.00 0.86 0.00 0.00 177.93 179.55 2ron h ALA 34 N 1.26 2.67 0.00 2.45 0.00 0.43 0.51 119.26 126.59 2ron h ALA 34 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ron h ALA 34 Cb 0.80 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ron h ALA 34 CO 0.06 -0.95 -0.84 1.19 0.00 0.00 0.00 179.25 178.71 2ron n PHE 35 N -4.35 0.00 -0.09 0.00 3.01 -0.82 -4.58 117.46 110.64 2ron n PHE 35 Ca 0.20 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.52 2ron n PHE 35 Cb 0.92 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 40.28 2ron n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2ron h LEU 36 N 0.00 0.00 -7.97 4.37 6.46 0.25 -3.51 115.31 114.92 2ron h LEU 36 Ca 0.00 -0.35 0.12 0.00 -0.12 0.00 0.00 57.88 57.52 2ron h LEU 36 Cb 0.41 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2ron h LEU 36 CO 0.00 1.14 0.51 0.00 -0.62 0.00 0.00 178.44 179.47 2ron s GLN 37 N -2.25 1.54 0.23 1.25 1.03 0.14 -5.06 119.66 116.54 2ron s GLN 37 Ca -0.21 -1.00 -0.22 0.00 0.04 0.00 0.00 55.36 53.97 2ron s GLN 37 Cb 0.03 0.43 0.05 0.00 0.03 0.00 0.00 33.01 33.56 2ron s GLN 37 CO 0.44 -0.72 0.89 0.20 -2.54 0.00 0.00 175.29 173.56 2ron s GLY 38 N -3.34 -0.04 -1.36 2.60 0.00 -1.26 -4.20 107.32 99.73 2ron s GLY 38 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 2ron s GLY 38 CO 0.07 0.38 1.09 1.18 0.00 0.00 0.00 173.10 175.82 2ron n GLU 39 N -0.52 -7.14 -2.74 2.90 1.02 -1.26 -4.98 120.64 107.92 2ron n GLU 39 Ca -0.05 0.78 -0.25 0.00 -0.02 0.00 0.00 57.16 57.62 2ron n GLU 39 Cb 0.60 -5.78 0.02 0.00 -0.02 0.00 0.00 31.44 26.26 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ron s GLU 41 N -4.73 4.42 -0.05 0.00 2.12 0.11 -4.71 118.70 115.85 2ron s GLU 41 Ca 0.50 1.89 0.06 0.00 0.36 0.00 0.00 54.97 57.79 2ron s GLU 41 Cb -0.10 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 2ron s GLU 41 CO 0.41 -0.26 -0.25 -1.64 -0.54 0.00 0.00 175.26 172.98 2ron s MET 42 N 0.68 2.45 -0.11 4.30 -1.94 -0.90 -2.02 119.30 121.76 2ron s MET 42 Ca 0.59 -0.91 -0.29 0.00 -1.71 0.00 0.00 55.69 53.37 2ron s MET 42 Cb -0.33 -2.14 0.07 0.00 2.01 0.00 0.00 34.83 34.44 2ron s MET 42 CO 0.32 0.43 0.69 -0.48 -0.01 0.00 0.00 175.02 175.97 2ron s LEU 43 N -0.28 -0.68 0.01 -0.03 0.05 -0.82 -0.54 118.68 116.39 2ron s LEU 43 Ca -0.00 0.92 -0.00 0.00 0.05 0.00 0.00 54.13 55.10 2ron s LEU 43 Cb -0.13 2.52 -0.01 0.00 -2.05 0.00 0.00 46.19 46.52 2ron s LEU 43 CO 0.03 -0.51 -0.02 0.00 -0.55 0.00 0.00 176.35 175.30 2ron s ALA 44 N -0.75 0.07 0.23 1.48 0.00 0.03 -1.23 121.76 121.60 2ron s ALA 44 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 2ron s ALA 44 Cb -0.01 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 2ron s ALA 44 CO 0.07 -0.11 0.64 0.00 0.00 0.00 0.00 175.76 176.36 2ron s ALA 45 N -0.98 3.47 0.14 0.00 0.00 -0.72 -1.53 121.76 122.14 2ron s ALA 45 Ca -0.11 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2ron s ALA 45 Cb -0.07 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2ron s ALA 45 CO -0.01 0.41 -0.04 -1.21 0.00 0.00 0.00 175.76 174.91 2ron s GLU 46 N -2.41 1.01 0.89 0.00 2.02 0.50 -4.57 118.70 116.14 2ron s GLU 46 Ca 0.45 -1.45 -0.11 0.00 0.02 0.00 0.00 54.97 53.87 2ron s GLU 46 Cb -0.13 -0.33 0.12 0.00 0.10 0.00 0.00 34.13 33.89 2ron s GLU 46 CO 0.20 -0.05 1.09 -1.25 0.02 0.00 0.00 175.26 175.27 2ron s PRO 47 N -3.85 1.33 -0.28 0.39 0.04 -1.26 -2.82 135.00 128.54 2ron s PRO 47 Ca 0.19 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 2ron s PRO 47 Cb 0.05 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2ron s PRO 47 CO 0.00 -2.20 1.65 -1.25 0.04 0.00 0.00 177.00 175.24 2ron s PRO 48 N -4.93 3.61 -0.00 0.56 0.04 -1.26 -3.88 135.00 129.14 2ron s PRO 48 Ca 0.63 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 2ron s PRO 48 Cb -0.18 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.27 2ron s PRO 48 CO 0.57 -1.52 -0.00 0.41 0.04 0.00 0.00 177.00 176.49 2ron n GLY 49 N 4.98 -0.53 0.02 0.56 0.00 -1.26 -4.86 105.19 104.09 2ron n GLY 49 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2ron n GLY 49 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 50 N -2.35 0.00 -0.36 1.61 8.25 -1.26 -5.13 115.22 115.98 2ron n HIS 50 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ron n HIS 50 Cb 0.01 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.91 2ron n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ron n GLY 51 N 2.41 -3.22 1.41 -1.41 0.00 -1.26 -5.06 105.19 98.06 2ron n GLY 51 Ca -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2ron n GLY 51 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ron n THR 52 N -1.35 0.33 0.00 2.61 5.66 -1.26 -5.08 114.28 115.19 2ron n THR 52 Ca 0.00 0.11 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2ron n THR 52 Cb 0.05 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.98 2ron n THR 52 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ron n ASN 53 N -2.94 0.00 -3.14 1.09 5.15 -1.26 -5.16 115.26 109.00 2ron n ASN 53 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 2ron n ASN 53 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2ron s GLN 54 N -0.99 2.00 0.34 1.20 -1.52 -1.26 -4.80 119.66 114.62 2ron s GLN 54 Ca 0.00 -1.73 -0.28 0.00 -1.95 0.00 0.00 55.36 51.40 2ron s GLN 54 Cb 0.00 0.48 -0.10 0.00 -0.22 0.00 0.00 33.01 33.17 2ron s GLN 54 CO 0.00 -0.85 1.22 -0.08 -0.25 0.00 0.00 175.29 175.33 2ron s THR 55 N -2.86 3.01 0.38 -0.19 -1.32 -1.26 -3.75 115.64 109.65 2ron s THR 55 Ca 0.28 0.97 0.14 0.00 -1.21 0.00 0.00 61.69 61.87 2ron s THR 55 Cb -0.01 -3.60 0.35 0.00 -1.51 0.00 0.00 72.50 67.73 2ron s THR 55 CO 0.19 0.20 1.83 0.77 -2.21 0.00 0.00 174.62 175.41 2ron h SER 56 N 3.29 0.54 -3.57 8.08 4.64 -1.94 -3.45 113.55 121.14 2ron h SER 56 Ca -0.48 0.06 -0.26 0.00 -0.47 0.00 0.00 61.79 60.64 2ron h SER 56 Cb 1.23 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2ron h SER 56 CO 0.65 0.21 -0.32 0.00 -0.87 0.00 0.00 176.83 176.50 2ron n ALA 57 N -2.46 -0.72 -2.94 5.18 0.00 -1.26 -1.92 120.51 116.39 2ron n ALA 57 Ca 0.20 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 2ron n ALA 57 Cb 0.65 -1.53 0.06 0.00 0.00 0.00 0.00 19.45 18.62 2ron n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ron n ILE 58 N -3.29 -7.81 0.04 0.00 2.08 -1.26 -4.86 119.36 104.25 2ron n ILE 58 Ca -0.15 -1.11 0.01 0.00 0.56 0.00 0.00 62.75 62.06 2ron n ILE 58 Cb 0.60 -5.94 0.01 0.00 -0.75 0.00 0.00 39.64 33.56 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -2.91 0.31 -0.12 0.38 1.02 -0.81 -4.67 120.64 113.84 2ron n GLU 59 Ca -0.06 -0.88 0.26 0.00 -0.02 0.00 0.00 57.16 56.47 2ron n GLU 59 Cb 0.60 -1.03 0.72 0.00 -0.02 0.00 0.00 31.44 31.70 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ron h ASP 60 N 0.30 0.00 0.36 1.62 3.04 -1.93 0.27 116.42 120.08 2ron h ASP 60 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 2ron h ASP 60 Cb 0.20 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.49 2ron h ASP 60 CO 0.00 0.00 -0.22 0.25 -2.04 0.00 0.00 179.24 177.23 2ron h LEU 61 N 0.00 -0.55 -1.18 0.15 7.12 -1.99 0.25 115.31 119.10 2ron h LEU 61 Ca 0.37 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 58.38 2ron h LEU 61 Cb 1.51 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.80 2ron h LEU 61 CO -0.00 -0.34 -0.15 -0.08 -0.13 0.00 0.00 178.44 177.74 2ron h GLU 62 N -0.54 0.00 0.02 1.25 4.57 -1.81 -2.08 114.58 115.98 2ron h GLU 62 Ca -0.05 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2ron h GLU 62 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2ron h GLU 62 CO 0.05 0.15 -0.01 1.49 -1.18 0.00 0.00 179.01 179.52 2ron h GLU 63 N 0.00 -0.02 0.25 1.92 4.57 -0.31 -2.15 114.58 118.84 2ron h GLU 63 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2ron h GLU 63 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2ron h GLU 63 CO 0.02 0.45 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.11 2ron h LEU 64 N -0.50 -0.28 -1.15 1.64 -0.00 -0.49 0.26 115.31 114.79 2ron h LEU 64 Ca -0.00 -0.25 0.23 0.00 -0.00 0.00 0.00 57.88 57.86 2ron h LEU 64 Cb 0.48 0.07 -0.11 0.00 -0.00 0.00 0.00 40.66 41.11 2ron h LEU 64 CO 0.00 0.19 0.62 0.71 -0.00 0.00 0.00 178.44 179.97 2ron h THR 65 N -0.84 0.59 0.11 0.22 1.35 -1.50 0.72 112.91 113.55 2ron h THR 65 Ca -0.03 -0.19 -0.28 0.00 -0.55 0.00 0.00 66.41 65.35 2ron h THR 65 Cb 0.51 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2ron h THR 65 CO 0.06 0.10 -1.36 -0.78 -0.25 0.00 0.00 175.52 173.29 2ron h ASP 66 N 0.57 0.35 0.23 5.36 3.58 -1.39 0.27 116.42 125.39 2ron h ASP 66 Ca 0.60 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2ron h ASP 66 Cb 1.21 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2ron h ASP 66 CO -0.37 1.34 0.00 -0.07 -2.88 0.00 0.00 179.24 177.26 2ron h LEU 67 N 0.06 0.00 0.00 2.28 3.38 0.18 0.31 115.31 121.52 2ron h LEU 67 Ca -0.17 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2ron h LEU 67 Cb 1.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 2ron h LEU 67 CO 0.17 0.00 -1.24 -1.22 0.09 0.00 0.00 178.44 176.24 2ron n TYR 68 N -2.55 0.00 -0.56 1.13 4.02 -0.56 -4.67 117.16 113.97 2ron n TYR 68 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 2ron n TYR 68 Cb 0.11 -0.16 0.22 0.00 -0.02 0.00 0.00 39.34 39.48 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ron n LYS 69 N -2.85 2.91 -0.28 -0.72 5.02 0.95 -4.52 118.16 118.68 2ron n LYS 69 Ca -0.08 -2.32 0.29 0.00 -2.02 0.00 0.00 58.31 54.18 2ron n LYS 69 Cb 0.57 -1.98 0.66 0.00 -0.02 0.00 0.00 35.03 34.26 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ron h GLN 70 N 1.84 0.14 0.00 1.97 -0.00 -0.54 -1.17 115.11 117.35 2ron h GLN 70 Ca 0.25 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.79 2ron h GLN 70 Cb 2.04 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 29.46 2ron h GLN 70 CO 0.61 0.09 -1.71 0.39 0.00 0.00 0.00 178.83 178.21 2ron n GLU 71 N -4.35 1.17 -3.01 1.69 -0.58 -1.26 -4.95 120.64 109.33 2ron n GLU 71 Ca 0.23 -0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.51 2ron n GLU 71 Cb 1.04 -1.31 -0.05 0.00 -0.57 0.00 0.00 31.44 30.55 2ron n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ron s LEU 72 N -4.39 4.23 -0.53 -4.62 1.43 -0.44 -5.02 118.68 109.34 2ron s LEU 72 Ca -0.05 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.91 2ron s LEU 72 Cb 0.06 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.24 2ron s LEU 72 CO 0.52 -0.24 0.86 0.20 0.23 0.00 0.00 176.35 177.92 2ron s ASN 73 N 1.01 6.33 0.34 2.29 -0.87 -1.26 -4.70 114.94 118.08 2ron s ASN 73 Ca 0.36 -0.43 -0.04 0.00 -1.57 0.00 0.00 52.86 51.17 2ron s ASN 73 Cb -0.17 -2.40 0.01 0.00 -0.02 0.00 0.00 41.25 38.67 2ron s ASN 73 CO 0.14 -1.12 0.50 -0.76 -2.57 0.00 0.00 177.10 173.28 2ron s LEU 74 N 3.61 0.92 0.23 0.60 1.02 -1.26 -5.18 118.68 118.62 2ron s LEU 74 Ca 0.27 -1.44 0.05 0.00 0.02 0.00 0.00 54.13 53.03 2ron s LEU 74 Cb -0.14 1.57 -0.03 0.00 0.02 0.00 0.00 46.19 47.61 2ron s LEU 74 CO 0.18 -1.32 0.31 -0.13 0.02 0.00 0.00 176.35 175.42 2ron s ARG 75 N -3.04 3.33 0.00 1.70 1.81 -1.26 -5.12 118.95 116.37 2ron s ARG 75 Ca 0.29 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 2ron s ARG 75 Cb -0.01 -2.83 0.00 0.00 -0.45 0.00 0.00 34.95 31.66 2ron s ARG 75 CO 0.19 0.44 0.00 -0.35 -0.68 0.00 0.00 175.30 174.90 2ron n PRO 76 N -1.23 -0.55 -3.02 3.54 -0.04 -1.26 -4.99 135.00 127.46 2ron n PRO 76 Ca -0.09 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.98 2ron n PRO 76 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 7.05 0.01 3.54 1.11 -1.26 -4.99 116.67 120.62 2ron s ASP 77 Ca 0.00 1.27 -0.26 0.00 0.18 0.00 0.00 52.55 53.74 2ron s ASP 77 Cb 0.00 -2.43 -0.14 0.00 1.07 0.00 0.00 42.92 41.41 2ron s ASP 77 CO 0.00 -0.10 1.11 0.03 1.18 0.00 0.00 175.17 177.40 2ron h ARG 78 N 6.53 -0.90 -7.28 8.23 3.08 -1.89 -3.45 114.38 118.69 2ron h ARG 78 Ca -0.42 0.06 -0.51 0.00 0.07 0.00 0.00 59.98 59.18 2ron h ARG 78 Cb 1.20 0.21 0.12 0.00 0.08 0.00 0.00 29.97 31.58 2ron h ARG 78 CO 0.74 -0.60 0.33 -1.25 -1.07 0.00 0.00 179.97 178.12 2ron s PRO 79 N -4.64 2.39 -0.29 0.04 0.04 -1.26 -4.56 135.00 126.72 2ron s PRO 79 Ca -0.14 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 2ron s PRO 79 Cb 0.01 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.77 2ron s PRO 79 CO 0.41 -1.55 0.85 0.12 0.04 0.00 0.00 177.00 176.87 2ron s PHE 80 N -2.76 -0.82 -0.09 0.56 5.36 -0.77 -3.51 117.98 115.95 2ron s PHE 80 Ca 0.63 1.59 0.03 0.00 -0.96 0.00 0.00 56.93 58.22 2ron s PHE 80 Cb -0.18 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 2ron s PHE 80 CO 0.52 -0.41 -0.17 0.14 -1.46 0.00 0.00 175.22 173.84 2ron s VAL 81 N 1.70 1.57 -0.19 3.12 -7.23 -0.00 -3.82 120.40 115.54 2ron s VAL 81 Ca -0.08 -0.72 -0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2ron s VAL 81 Cb -0.05 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.49 2ron s VAL 81 CO -0.17 0.45 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.73 2ron s LEU 82 N 0.66 2.56 -0.07 1.32 0.20 -1.23 -0.52 118.68 121.61 2ron s LEU 82 Ca -0.14 -0.48 0.04 0.00 0.69 0.00 0.00 54.13 54.25 2ron s LEU 82 Cb -0.16 -1.61 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 2ron s LEU 82 CO 0.04 0.03 -0.19 -0.36 -0.29 0.00 0.00 176.35 175.58 2ron s PHE 83 N 1.18 1.96 0.00 5.38 0.08 -0.83 -4.54 117.98 121.20 2ron s PHE 83 Ca 0.02 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2ron s PHE 83 Cb -0.14 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 2ron s PHE 83 CO -0.05 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 2ron n GLY 84 N 3.40 3.43 3.78 4.36 0.00 -1.26 -1.99 105.19 116.90 2ron n GLY 84 Ca -0.20 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2ron n GLY 84 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ron s HIS 85 N 2.26 1.81 -0.21 1.61 -3.43 -1.26 -4.82 115.29 111.24 2ron s HIS 85 Ca 0.00 -0.98 0.13 0.00 -0.80 0.00 0.00 55.06 53.42 2ron s HIS 85 Cb 0.00 -1.61 0.44 0.00 -1.43 0.00 0.00 32.58 29.98 2ron s HIS 85 CO 0.00 0.20 1.31 0.43 -2.00 0.00 0.00 174.74 174.68 2ron n SER 86 N -1.30 2.45 -0.11 7.38 7.64 -1.26 -3.71 113.62 124.71 2ron n SER 86 Ca -0.20 -3.53 -0.16 0.00 1.01 0.00 0.00 58.87 55.99 2ron n SER 86 Cb 0.67 -0.54 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 2ron n SER 86 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2ron n MET 87 N -1.10 0.67 0.00 1.43 0.00 -1.26 -4.90 117.12 111.96 2ron n MET 87 Ca 0.23 0.11 0.00 0.00 0.00 0.00 0.00 57.70 58.04 2ron n MET 87 Cb 0.82 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 32.51 2ron n MET 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ron n GLY 88 N 2.09 -0.83 0.00 3.17 0.00 -1.26 -5.11 105.19 103.25 2ron n GLY 88 Ca -0.41 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2ron n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 89 N -0.57 -0.41 0.07 -0.02 0.00 -1.26 -4.79 105.19 98.21 2ron n GLY 89 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2ron n GLY 89 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ron h MET 90 N 0.00 -0.15 -1.02 1.61 4.05 -1.98 -2.08 114.93 115.36 2ron h MET 90 Ca 0.00 0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.68 2ron h MET 90 Cb 0.00 0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 30.73 2ron h MET 90 CO 0.00 -0.10 0.63 -0.84 0.23 0.00 0.00 176.91 176.83 2ron h ILE 91 N -0.39 0.56 0.00 1.77 3.07 -1.99 0.39 117.51 120.93 2ron h ILE 91 Ca -0.02 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2ron h ILE 91 Cb 0.12 -0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.67 2ron h ILE 91 CO 0.03 0.09 0.00 0.41 -1.05 0.00 0.00 178.15 177.63 2ron n THR 92 N -4.73 0.00 -0.21 0.16 -1.04 -1.25 -2.29 114.28 104.92 2ron n THR 92 Ca 0.25 1.19 0.01 0.00 -2.04 0.00 0.00 64.05 63.47 2ron n THR 92 Cb 0.78 -2.19 0.12 0.00 -1.82 0.00 0.00 70.33 67.21 2ron n THR 92 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2ron h PHE 93 N 0.00 0.10 -0.75 -1.42 3.04 -1.11 -0.38 116.94 116.43 2ron h PHE 93 Ca 0.00 0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.16 2ron h PHE 93 Cb 0.00 0.05 -0.11 0.00 2.56 0.00 0.00 35.95 38.45 2ron h PHE 93 CO 0.16 -0.10 0.18 -0.09 -2.02 0.00 0.00 178.31 176.44 2ron h ARG 94 N 0.19 0.26 -0.46 1.11 2.43 -0.30 0.36 114.38 117.97 2ron h ARG 94 Ca 0.33 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2ron h ARG 94 Cb 0.53 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2ron h ARG 94 CO -0.47 0.17 0.10 -0.07 -1.51 0.00 0.00 179.97 178.19 2ron h LEU 95 N 0.26 0.70 0.59 3.80 3.38 -0.66 -0.69 115.31 122.69 2ron h LEU 95 Ca 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2ron h LEU 95 Cb 0.75 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2ron h LEU 95 CO -0.53 0.76 -0.28 0.00 0.09 0.00 0.00 178.44 178.48 2ron h ALA 96 N 0.97 -1.00 -0.31 1.53 0.00 -0.28 -1.76 119.26 118.41 2ron h ALA 96 Ca 0.14 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2ron h ALA 96 Cb 0.34 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2ron h ALA 96 CO 0.00 -0.94 -0.24 0.37 0.00 0.00 0.00 179.25 178.44 2ron h GLN 97 N -0.96 -0.21 -0.38 0.00 4.15 -0.46 0.56 115.11 117.82 2ron h GLN 97 Ca -0.08 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.43 2ron h GLN 97 Cb 0.61 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.26 2ron h GLN 97 CO 0.13 -0.14 -0.21 -0.22 -1.93 0.00 0.00 178.83 176.47 2ron h LYS 98 N -0.22 -0.14 0.00 1.69 3.11 -1.18 0.28 116.57 120.11 2ron h LYS 98 Ca 0.16 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 2ron h LYS 98 Cb 0.46 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 2ron h LYS 98 CO -0.43 -0.09 -0.09 1.25 -2.81 0.00 0.00 179.45 177.28 2ron h LEU 99 N -0.15 0.00 0.14 5.20 7.12 -0.51 -0.95 115.31 126.16 2ron h LEU 99 Ca 0.19 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 2ron h LEU 99 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 2ron h LEU 99 CO -0.47 0.09 -0.07 -0.08 -0.13 0.00 0.00 178.44 177.78 2ron h GLU 100 N 0.00 -0.18 -0.75 1.25 4.81 0.17 -0.25 114.58 119.62 2ron h GLU 100 Ca -0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 2ron h GLU 100 Cb 0.20 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.53 2ron h GLU 100 CO 0.01 -0.12 0.34 0.07 -0.73 0.00 0.00 179.01 178.57 2ron h ARG 101 N -0.48 0.50 -0.08 1.92 0.11 -0.89 0.18 114.38 115.64 2ron h ARG 101 Ca -0.02 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.92 2ron h ARG 101 Cb 0.15 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2ron h ARG 101 CO 0.03 0.33 -0.44 1.05 0.10 0.00 0.00 179.97 181.04 2ron h GLU 102 N 0.52 0.19 -0.18 0.08 -0.00 -1.29 -3.11 114.58 110.78 2ron h GLU 102 Ca 0.40 -0.10 -0.20 0.00 -0.00 0.00 0.00 59.36 59.46 2ron h GLU 102 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 2ron h GLU 102 CO -0.36 0.60 -0.69 0.78 -0.00 0.00 0.00 179.01 179.35 2ron h GLY 103 N 1.28 0.82 -5.55 1.06 0.00 0.96 -3.46 103.07 98.19 2ron h GLY 103 Ca 0.01 -1.09 0.17 0.00 0.00 0.00 0.00 47.33 46.43 2ron h GLY 103 CO 0.07 0.97 0.24 -1.50 0.00 0.00 0.00 176.54 176.32 2ron s ILE 104 N -3.86 -0.46 -0.01 2.60 1.10 0.41 -4.94 121.20 116.04 2ron s ILE 104 Ca -0.09 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 59.82 2ron s ILE 104 Cb 0.10 -1.00 -0.14 0.00 0.15 0.00 0.00 42.46 41.57 2ron s ILE 104 CO 0.89 0.00 0.98 0.15 -2.11 0.00 0.00 174.94 174.85 2ron h PHE 105 N 7.37 -0.49 -0.64 3.50 3.57 -1.80 -3.40 116.94 125.05 2ron h PHE 105 Ca -0.17 -0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.02 2ron h PHE 105 Cb 1.12 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 2ron h PHE 105 CO 0.19 -0.17 0.83 -1.25 -2.23 0.00 0.00 178.31 175.68 2ron s PRO 106 N -4.07 2.54 0.24 6.41 0.04 -1.26 -4.95 135.00 133.94 2ron s PRO 106 Ca -0.12 -0.55 0.05 0.00 0.04 0.00 0.00 61.00 60.42 2ron s PRO 106 Cb 0.01 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 2ron s PRO 106 CO 0.42 -3.55 0.32 -0.65 0.04 0.00 0.00 177.00 173.59 2ron s GLN 107 N 6.85 3.35 0.00 4.56 -0.21 -1.26 -4.83 119.66 128.11 2ron s GLN 107 Ca 0.70 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2ron s GLN 107 Cb -0.05 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.12 2ron s GLN 107 CO 0.03 0.43 0.00 0.00 -2.12 0.00 0.00 175.29 173.63 2ron n ALA 108 N -1.30 0.00 -2.80 6.09 0.00 -1.26 -4.96 120.51 116.28 2ron n ALA 108 Ca -0.09 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 2ron n ALA 108 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 2ron n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ron s VAL 109 N -0.36 4.89 -0.06 0.00 -7.23 -1.26 -3.20 120.40 113.17 2ron s VAL 109 Ca 0.00 -0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 2ron s VAL 109 Cb 0.00 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.77 2ron s VAL 109 CO 0.00 0.49 0.21 -0.63 -0.31 0.00 0.00 175.10 174.86 2ron s ILE 110 N 0.10 0.02 -0.04 -0.62 1.09 -0.91 -1.84 121.20 119.00 2ron s ILE 110 Ca 0.06 -0.16 0.04 0.00 -1.10 0.00 0.00 60.65 59.48 2ron s ILE 110 Cb -0.12 -0.35 -0.00 0.00 -1.06 0.00 0.00 42.46 40.92 2ron s ILE 110 CO 0.00 -0.09 -0.14 -0.51 -0.10 0.00 0.00 174.94 174.11 2ron s ILE 111 N -0.26 1.17 0.25 2.92 -1.16 -1.25 -2.82 121.20 120.04 2ron s ILE 111 Ca -0.04 -0.57 0.08 0.00 -0.51 0.00 0.00 60.65 59.61 2ron s ILE 111 Cb -0.03 -1.01 -0.04 0.00 0.61 0.00 0.00 42.46 41.99 2ron s ILE 111 CO 0.01 0.34 0.12 -0.94 -2.81 0.00 0.00 174.94 171.66 2ron s SER 112 N 0.09 5.18 0.35 4.50 1.04 -0.99 -3.51 113.70 120.36 2ron s SER 112 Ca -0.03 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2ron s SER 112 Cb -0.10 -1.21 0.01 0.00 0.10 0.00 0.00 66.02 64.82 2ron s SER 112 CO 0.01 -0.01 0.54 0.00 0.98 0.00 0.00 173.24 174.76 2ron s ALA 113 N -2.15 0.46 -1.13 5.32 0.00 -1.26 -3.14 121.76 119.86 2ron s ALA 113 Ca 0.32 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 2ron s ALA 113 Cb -0.08 1.06 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 2ron s ALA 113 CO 0.23 -0.83 0.84 -0.89 0.00 0.00 0.00 175.76 175.11 2ron n ILE 114 N -0.56 -7.10 -3.07 0.00 5.41 -1.24 -4.44 119.36 108.36 2ron n ILE 114 Ca -0.01 -1.05 -0.43 0.00 1.00 0.00 0.00 62.75 62.26 2ron n ILE 114 Cb 0.61 -5.23 -0.06 0.00 -0.71 0.00 0.00 39.64 34.25 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -5.28 3.28 0.98 0.38 1.11 -1.26 -4.38 119.66 114.49 2ron s GLN 115 Ca 0.38 -0.39 -0.12 0.00 0.01 0.00 0.00 55.36 55.24 2ron s GLN 115 Cb -0.09 -3.98 0.18 0.00 -1.01 0.00 0.00 33.01 28.11 2ron s GLN 115 CO 0.80 -1.09 1.09 -1.25 0.01 0.00 0.00 175.29 174.85 2ron s PRO 116 N 2.95 0.56 0.20 2.91 0.04 -1.26 -3.24 135.00 137.17 2ron s PRO 116 Ca 0.23 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 2ron s PRO 116 Cb -0.14 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.81 2ron s PRO 116 CO 0.19 -2.66 1.56 -1.00 0.04 0.00 0.00 177.00 175.13 2ron h PRO 117 N -1.84 0.63 -7.03 0.56 0.13 -1.95 -3.45 132.00 119.05 2ron h PRO 117 Ca -0.54 -0.33 -0.56 0.00 -0.87 0.00 0.00 66.00 63.71 2ron h PRO 117 Cb 1.32 0.01 0.15 0.00 0.13 0.00 0.00 31.00 32.61 2ron h PRO 117 CO 0.57 0.93 0.54 -2.39 -0.23 0.00 0.00 178.00 177.42 2ron n HIS 118 N -4.03 2.10 -4.03 1.56 1.44 -1.26 -4.86 115.22 106.15 2ron n HIS 118 Ca -0.02 0.43 -0.08 0.00 -2.01 0.00 0.00 57.72 56.04 2ron n HIS 118 Cb 0.53 -2.32 -0.09 0.00 0.12 0.00 0.00 29.99 28.23 2ron n HIS 118 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2ron s ILE 119 N -1.32 0.15 -0.03 0.61 -0.00 -1.26 -4.79 121.20 114.55 2ron s ILE 119 Ca 0.74 -1.62 -0.30 0.00 -0.00 0.00 0.00 60.65 59.48 2ron s ILE 119 Cb -0.41 -1.63 -0.06 0.00 -0.00 0.00 0.00 42.46 40.36 2ron s ILE 119 CO 0.47 -0.70 1.62 -1.58 -0.00 0.00 0.00 174.94 174.76 2ron s GLN 120 N -3.94 4.19 -0.05 0.37 2.00 -1.26 -4.81 119.66 116.16 2ron s GLN 120 Ca 0.12 2.18 -0.30 0.00 -2.00 0.00 0.00 55.36 55.36 2ron s GLN 120 Cb 0.06 -3.89 -0.02 0.00 0.80 0.00 0.00 33.01 29.96 2ron s GLN 120 CO -0.06 -0.80 1.04 -0.98 -0.50 0.00 0.00 175.29 173.99 2ron s ARG 121 N 3.68 4.46 0.34 1.67 1.70 -1.26 -5.03 118.95 124.51 2ron s ARG 121 Ca 0.72 1.47 0.07 0.00 -0.47 0.00 0.00 55.73 57.52 2ron s ARG 121 Cb -0.34 -3.50 -0.03 0.00 -0.57 0.00 0.00 34.95 30.51 2ron s ARG 121 CO 0.29 -0.24 0.26 0.15 -1.08 0.00 0.00 175.30 174.68 2ron s LYS 122 N 1.63 1.77 -0.66 3.89 3.01 -1.26 -5.11 119.74 123.01 2ron s LYS 122 Ca 0.51 -2.03 -0.20 0.00 -1.01 0.00 0.00 55.97 53.25 2ron s LYS 122 Cb -0.21 0.23 0.10 0.00 -1.01 0.00 0.00 37.83 36.93 2ron s LYS 122 CO 0.23 -0.63 0.83 0.15 0.51 0.00 0.00 175.35 176.44 2ron s LYS 123 N -3.49 3.14 0.34 1.68 1.02 -1.26 -4.90 119.74 116.27 2ron s LYS 123 Ca 0.39 -1.25 0.07 0.00 0.02 0.00 0.00 55.97 55.20 2ron s LYS 123 Cb 0.02 -4.33 -0.03 0.00 -0.52 0.00 0.00 37.83 32.98 2ron s LYS 123 CO 0.26 -1.65 0.26 0.14 -0.92 0.00 0.00 175.35 173.44 2ron s VAL 124 N 3.05 0.07 -0.08 3.17 -7.23 -1.26 -5.07 120.40 113.05 2ron s VAL 124 Ca 0.17 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.48 2ron s VAL 124 Cb -0.19 -2.48 0.28 0.00 0.56 0.00 0.00 36.38 34.55 2ron s VAL 124 CO 0.05 0.00 1.13 -1.20 -0.31 0.00 0.00 175.10 174.77 2ron n SER 125 N -1.51 1.20 -0.05 4.85 7.64 -1.26 -4.87 113.62 119.62 2ron n SER 125 Ca 0.06 -2.68 -0.08 0.00 1.01 0.00 0.00 58.87 57.17 2ron n SER 125 Cb 0.63 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2ron h HIS 126 N 0.50 -0.57 -3.44 1.43 6.17 -2.00 -3.45 115.15 113.79 2ron h HIS 126 Ca -0.06 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 60.99 2ron h HIS 126 Cb 1.35 0.29 -0.14 0.00 2.52 0.00 0.00 27.41 31.44 2ron h HIS 126 CO 0.25 -0.30 -0.14 -0.51 0.71 0.00 0.00 177.93 177.94 2ron s LEU 127 N -10.51 0.63 0.25 0.26 1.43 -1.26 -5.02 118.68 104.45 2ron s LEU 127 Ca -0.15 -0.35 0.23 0.00 -1.03 0.00 0.00 54.13 52.83 2ron s LEU 127 Cb 0.12 1.65 0.97 0.00 0.03 0.00 0.00 46.19 48.96 2ron s LEU 127 CO 0.68 -0.80 1.70 -0.81 0.23 0.00 0.00 176.35 177.35 2ron n PRO 128 N -0.09 0.19 -0.15 1.29 -0.04 -1.26 -2.19 135.00 132.74 2ron n PRO 128 Ca -0.16 0.42 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2ron n PRO 128 Cb 0.63 -1.86 0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2ron n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ron n ASP 129 N -2.21 2.74 0.10 3.54 8.00 -1.26 -4.73 116.55 122.72 2ron n ASP 129 Ca 0.02 -2.15 -0.04 0.00 0.71 0.00 0.00 54.79 53.33 2ron n ASP 129 Cb 0.22 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ron h ASP 130 N 1.35 -0.23 -0.91 -2.24 3.58 -1.84 -2.12 116.42 114.01 2ron h ASP 130 Ca 0.00 0.01 0.25 0.00 0.42 0.00 0.00 57.03 57.71 2ron h ASP 130 Cb 0.75 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 2ron h ASP 130 CO 0.02 -0.11 0.64 0.06 -2.88 0.00 0.00 179.24 176.97 2ron h GLN 131 N -0.38 0.07 0.00 0.28 3.07 -1.85 0.37 115.11 116.68 2ron h GLN 131 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2ron h GLN 131 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2ron h GLN 131 CO 0.05 0.05 0.00 1.19 0.09 0.00 0.00 178.83 180.20 2ron n PHE 132 N -4.32 0.00 -0.26 0.06 3.01 -1.20 -1.91 117.46 112.84 2ron n PHE 132 Ca 0.19 0.00 0.28 0.00 1.01 0.00 0.00 57.45 58.93 2ron n PHE 132 Cb 0.93 -0.28 0.65 0.00 -0.01 0.00 0.00 39.48 40.76 2ron n PHE 132 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2ron h LEU 133 N 0.00 0.18 0.02 4.37 8.10 -1.17 0.19 115.31 126.99 2ron h LEU 133 Ca 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 2ron h LEU 133 Cb 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2ron h LEU 133 CO 0.00 0.05 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.58 2ron h ASP 134 N 0.16 -0.02 -0.15 0.17 1.82 -0.95 -1.69 116.42 115.76 2ron h ASP 134 Ca 0.51 -0.05 -0.21 0.00 -0.39 0.00 0.00 57.03 56.90 2ron h ASP 134 Cb 1.73 0.01 0.01 0.00 0.68 0.00 0.00 39.33 41.76 2ron h ASP 134 CO -0.11 0.03 -0.71 -0.74 -1.61 0.00 0.00 179.24 176.10 2ron h HIS 135 N -0.08 1.00 -0.70 0.28 2.76 -0.27 -3.16 115.15 114.98 2ron h HIS 135 Ca -0.00 -0.44 0.13 0.00 -2.20 0.00 0.00 60.37 57.86 2ron h HIS 135 Cb 0.07 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.83 2ron h HIS 135 CO -0.06 1.26 0.47 0.82 -1.30 0.00 0.00 177.93 179.12 2ron h ILE 136 N 0.45 0.82 -7.05 6.26 1.08 -0.66 -3.45 117.51 114.96 2ron h ILE 136 Ca -0.05 -0.13 -0.61 0.00 -0.39 0.00 0.00 64.86 63.68 2ron h ILE 136 Cb 1.35 0.40 -0.34 0.00 -3.07 0.00 0.00 36.82 35.16 2ron h ILE 136 CO 0.15 0.07 -0.89 2.30 -0.69 0.00 0.00 178.15 179.09 2ron n ILE 137 N -4.47 -0.22 -0.02 -0.67 -5.35 -0.64 -4.79 119.36 103.20 2ron n ILE 137 Ca 0.13 -0.11 -0.03 0.00 -0.27 0.00 0.00 62.75 62.47 2ron n ILE 137 Cb 0.49 -0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 37.79 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 138 N -4.05 0.18 -3.76 6.28 7.27 -1.26 -4.40 117.38 117.63 2ron n GLN 138 Ca 0.02 0.07 -0.27 0.00 0.07 0.00 0.00 57.00 56.88 2ron n GLN 138 Cb 0.49 -0.72 0.02 0.00 2.41 0.00 0.00 30.24 32.44 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ron n LEU 139 N -3.41 -2.78 0.00 1.69 7.99 -1.26 -2.00 117.00 117.23 2ron n LEU 139 Ca -0.05 -0.97 0.00 0.00 -0.01 0.00 0.00 56.01 54.98 2ron n LEU 139 Cb 0.17 -2.41 0.00 0.00 -0.11 0.00 0.00 43.42 41.07 2ron n LEU 139 CO 0.07 0.44 0.00 0.61 -1.51 0.00 0.00 177.39 177.00 2ron n GLY 140 N -1.74 2.24 0.00 -0.72 0.00 -1.26 -4.88 105.19 98.83 2ron n GLY 140 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2ron n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 141 N 0.00 2.06 2.85 -0.02 0.00 -0.85 -5.12 105.19 104.11 2ron n GLY 141 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2ron n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ron s MET 142 N -0.27 0.64 -0.76 1.61 1.00 -1.21 -5.00 119.30 115.30 2ron s MET 142 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 55.69 54.79 2ron s MET 142 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 34.83 34.25 2ron s MET 142 CO 0.00 -1.17 1.90 -1.25 0.00 0.00 0.00 175.02 174.50 2ron s PRO 143 N 1.63 2.59 -0.07 2.03 0.04 -1.26 -4.60 135.00 135.36 2ron s PRO 143 Ca 0.16 0.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 2ron s PRO 143 Cb -0.13 -4.74 0.04 0.00 0.04 0.00 0.00 34.50 29.71 2ron s PRO 143 CO -0.07 -3.07 0.16 0.00 0.04 0.00 0.00 177.00 174.06 2ron s ALA 144 N 9.59 -0.31 0.00 8.56 0.00 -1.26 -5.02 121.76 133.32 2ron s ALA 144 Ca 0.69 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2ron s ALA 144 Cb -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2ron s ALA 144 CO 0.10 -0.15 0.00 0.39 0.00 0.00 0.00 175.76 176.09 2ron n GLU 145 N 4.11 0.18 -0.11 0.00 1.02 -1.26 -4.86 120.64 119.72 2ron n GLU 145 Ca -0.25 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 56.93 2ron n GLU 145 Cb 0.52 -0.68 0.06 0.00 -0.02 0.00 0.00 31.44 31.32 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2ron n LEU 146 N -1.75 1.60 -0.01 -4.62 -0.00 -1.26 -4.66 117.00 106.31 2ron n LEU 146 Ca 0.00 -2.06 0.09 0.00 -0.00 0.00 0.00 56.01 54.04 2ron n LEU 146 Cb 0.18 -0.18 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2ron n LEU 146 CO 0.00 0.49 -0.52 1.33 -0.00 0.00 0.00 177.39 178.69 2ron n VAL 147 N -0.75 0.00 -0.25 1.47 0.24 -1.26 -4.42 118.33 113.36 2ron n VAL 147 Ca 0.07 -0.32 0.22 0.00 -2.04 0.00 0.00 64.34 62.26 2ron n VAL 147 Cb 0.51 0.35 0.55 0.00 -1.47 0.00 0.00 33.84 33.77 2ron n VAL 147 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2ron h GLU 148 N 0.00 0.32 0.40 7.34 4.11 -1.91 -0.35 114.58 124.49 2ron h GLU 148 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2ron h GLU 148 Cb 0.72 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ron h GLU 148 CO 0.00 0.21 -0.19 -0.97 0.07 0.00 0.00 179.01 178.13 2ron h ASN 149 N 0.33 -0.45 -0.71 3.06 -1.24 -1.93 -0.04 115.58 114.61 2ron h ASN 149 Ca 0.49 0.02 0.21 0.00 0.71 0.00 0.00 56.30 57.72 2ron h ASN 149 Cb 1.35 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.48 2ron h ASN 149 CO -0.17 -0.20 0.59 0.07 -1.29 0.00 0.00 177.43 176.43 2ron h LYS 150 N -0.77 0.00 0.02 6.67 2.10 -1.71 -0.18 116.57 122.70 2ron h LYS 150 Ca -0.05 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.51 2ron h LYS 150 Cb 0.41 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2ron h LYS 150 CO 0.09 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 178.11 2ron h GLU 151 N 0.00 0.20 -0.38 0.07 5.08 -1.01 0.28 114.58 118.82 2ron h GLU 151 Ca 0.34 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 2ron h GLU 151 Cb 1.51 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2ron h GLU 151 CO -0.00 1.01 0.38 0.28 -1.00 0.00 0.00 179.01 179.68 2ron h VAL 152 N -0.50 0.43 0.00 3.13 2.07 0.87 0.43 116.25 122.69 2ron h VAL 152 Ca -0.05 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 67.02 2ron h VAL 152 Cb 1.16 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2ron h VAL 152 CO 0.07 0.00 -2.48 0.23 0.02 0.00 0.00 177.57 175.41 2ron n MET 153 N -3.81 0.59 -0.00 1.57 2.81 -0.97 -3.85 117.12 113.46 2ron n MET 153 Ca 0.06 0.27 -0.00 0.00 -1.81 0.00 0.00 57.70 56.23 2ron n MET 153 Cb 0.56 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 2ron n MET 153 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2ron h SER 154 N -0.95 -0.00 -0.74 7.83 0.87 -0.14 -3.33 113.55 117.08 2ron h SER 154 Ca -0.68 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.09 2ron h SER 154 Cb 1.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 2ron h SER 154 CO -0.40 0.01 0.64 -0.26 -0.53 0.00 0.00 176.83 176.29 2ron h PHE 155 N -0.02 0.00 -4.59 2.24 -1.00 -0.47 -3.42 116.94 109.68 2ron h PHE 155 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 2ron h PHE 155 Cb 0.00 0.00 0.06 0.00 3.61 0.00 0.00 35.95 39.62 2ron h PHE 155 CO 0.01 0.00 -0.26 0.34 -1.61 0.00 0.00 178.31 176.80 2ron n PHE 156 N -3.93 -1.82 -0.94 -0.55 -0.00 0.11 -4.10 117.46 106.23 2ron n PHE 156 Ca 0.15 0.67 -0.34 0.00 -0.00 0.00 0.00 57.45 57.92 2ron n PHE 156 Cb 0.90 -3.38 0.09 0.00 -0.00 0.00 0.00 39.48 37.09 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2ron n LEU 157 N -2.02 -1.77 0.05 -2.13 -0.00 -1.24 -4.55 117.00 105.35 2ron n LEU 157 Ca -0.02 0.34 -0.05 0.00 -0.00 0.00 0.00 56.01 56.29 2ron n LEU 157 Cb 0.54 -1.07 0.16 0.00 -0.00 0.00 0.00 43.42 43.04 2ron n LEU 157 CO 0.37 -4.26 0.59 1.55 -0.00 0.00 0.00 177.39 175.64 2ron h PRO 158 N -1.16 0.36 -5.51 1.47 0.13 -1.86 -3.43 132.00 122.00 2ron h PRO 158 Ca -0.44 -0.19 -0.51 0.00 -0.87 0.00 0.00 66.00 64.00 2ron h PRO 158 Cb 1.30 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2ron h PRO 158 CO 0.33 0.74 1.64 0.43 -0.23 0.00 0.00 178.00 180.91 2ron n SER 159 N -4.00 1.78 0.03 1.44 7.64 -1.26 -4.84 113.62 114.41 2ron n SER 159 Ca -0.02 -0.17 -0.01 0.00 1.01 0.00 0.00 58.87 59.68 2ron n SER 159 Cb 0.52 -1.36 -0.01 0.00 -1.01 0.00 0.00 64.21 62.35 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 160 N 16.39 -0.07 -1.42 1.43 0.04 -1.96 -2.79 116.94 128.56 2ron h PHE 160 Ca -0.20 -0.00 0.42 0.00 2.80 0.00 0.00 57.97 60.99 2ron h PHE 160 Cb 1.29 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.38 2ron h PHE 160 CO 0.99 -0.04 0.99 0.07 -0.60 0.00 0.00 178.31 179.72 2ron h ARG 161 N -0.09 0.07 0.00 1.51 0.11 -1.96 0.68 114.38 114.70 2ron h ARG 161 Ca -0.01 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2ron h ARG 161 Cb 0.06 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2ron h ARG 161 CO 0.01 0.05 0.00 0.45 0.10 0.00 0.00 179.97 180.58 2ron n SER 162 N -4.31 0.00 0.00 0.08 2.88 -1.18 -1.67 113.62 109.43 2ron n SER 162 Ca 0.34 0.95 -0.13 0.00 -1.33 0.00 0.00 58.87 58.70 2ron n SER 162 Cb 1.46 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 64.36 2ron n SER 162 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ron h ASP 163 N 0.00 -0.02 -0.91 -3.46 3.58 -1.07 0.21 116.42 114.75 2ron h ASP 163 Ca 0.00 -0.38 0.26 0.00 0.42 0.00 0.00 57.03 57.33 2ron h ASP 163 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2ron h ASP 163 CO 0.00 0.37 0.26 0.22 -2.88 0.00 0.00 179.24 177.21 2ron h TYR 164 N -0.41 0.38 0.03 0.28 5.03 0.21 0.63 116.97 123.13 2ron h TYR 164 Ca -0.00 0.05 -0.26 0.00 2.58 0.00 0.00 58.73 61.10 2ron h TYR 164 Cb 0.40 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 2ron h TYR 164 CO 0.06 -0.26 -1.38 -0.09 -1.32 0.00 0.00 178.16 175.17 2ron h ARG 165 N 0.18 0.06 0.00 1.82 2.43 -1.27 0.27 114.38 117.87 2ron h ARG 165 Ca 0.60 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 2ron h ARG 165 Cb 1.26 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2ron h ARG 165 CO -0.70 0.85 0.00 0.00 -1.51 0.00 0.00 179.97 178.62 2ron n ALA 166 N -2.50 2.23 0.00 2.80 0.00 0.89 0.22 120.51 124.15 2ron n ALA 166 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2ron n ALA 166 Cb 1.01 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2ron n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ron n LEU 167 N -1.22 1.31 -0.05 0.00 -0.00 0.18 -4.84 117.00 112.38 2ron n LEU 167 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.11 2ron n LEU 167 Cb 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.46 2ron n LEU 167 CO 0.17 0.22 -0.90 -0.62 -0.00 0.00 0.00 177.39 176.26 2ron n GLU 168 N -1.94 1.25 -2.43 1.96 -0.58 0.93 -4.99 120.64 114.85 2ron n GLU 168 Ca 0.00 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.57 2ron n GLU 168 Cb 0.33 -1.38 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 2ron n GLU 168 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2ron n GLN 169 N -2.40 -2.22 -0.11 3.49 7.27 0.13 -4.79 117.38 118.75 2ron n GLN 169 Ca -0.18 0.59 0.04 0.00 0.07 0.00 0.00 57.00 57.53 2ron n GLN 169 Cb 0.81 -5.19 0.10 0.00 2.41 0.00 0.00 30.24 28.38 2ron n GLN 169 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2ron n PHE 170 N -3.36 0.29 -3.96 3.69 -0.00 -1.26 -5.01 117.46 107.85 2ron n PHE 170 Ca -0.14 -0.39 -0.27 0.00 -0.00 0.00 0.00 57.45 56.65 2ron n PHE 170 Cb 0.61 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.48 40.03 2ron n PHE 170 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2ron s GLU 171 N -0.94 3.37 0.33 -4.13 8.01 -1.26 -5.07 118.70 119.01 2ron s GLU 171 Ca 0.17 -0.61 0.07 0.00 0.01 0.00 0.00 54.97 54.61 2ron s GLU 171 Cb 0.09 -2.94 -0.03 0.00 -4.31 0.00 0.00 34.13 26.95 2ron s GLU 171 CO 0.12 0.53 0.28 -0.51 0.01 0.00 0.00 175.26 175.69 2ron s LEU 172 N -3.12 1.73 0.54 1.80 1.43 -1.26 -4.95 118.68 114.85 2ron s LEU 172 Ca 0.34 -1.75 0.31 0.00 -1.03 0.00 0.00 54.13 52.00 2ron s LEU 172 Cb -0.11 0.57 1.47 0.00 0.03 0.00 0.00 46.19 48.15 2ron s LEU 172 CO 0.28 -1.06 1.90 1.88 0.23 0.00 0.00 176.35 179.57 2ron h TYR 173 N 2.15 0.00 -3.45 0.29 0.05 -2.02 -3.33 116.97 110.65 2ron h TYR 173 Ca -0.25 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 57.81 2ron h TYR 173 Cb 1.23 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.73 2ron h TYR 173 CO 1.68 0.00 -0.43 -0.51 -1.05 0.00 0.00 178.16 177.86 2ron s ASP 174 N -5.66 5.93 0.00 3.88 1.01 -1.26 -4.85 116.67 115.71 2ron s ASP 174 Ca -0.05 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.03 2ron s ASP 174 Cb 0.21 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 42.04 2ron s ASP 174 CO 0.75 -0.51 0.67 0.00 0.21 0.00 0.00 175.17 176.29 2ron n LEU 175 N 5.08 1.10 -4.76 1.23 -0.00 -1.25 -5.07 117.00 113.32 2ron n LEU 175 Ca -0.11 -1.10 -0.29 0.00 -0.00 0.00 0.00 56.01 54.51 2ron n LEU 175 Cb 0.45 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.00 2ron n LEU 175 CO 0.41 0.27 0.69 0.00 -0.00 0.00 0.00 177.39 178.77 2ron s ALA 176 N -0.44 1.74 -1.08 1.47 0.00 -1.26 -4.31 121.76 117.88 2ron s ALA 176 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.59 2ron s ALA 176 Cb 0.00 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 2ron s ALA 176 CO 0.00 -2.22 0.91 1.04 0.00 0.00 0.00 175.76 175.50 2ron n GLN 177 N -3.75 -2.66 -3.74 0.00 6.02 -1.20 -4.97 117.38 107.08 2ron n GLN 177 Ca 0.07 0.83 -0.19 0.00 -0.01 0.00 0.00 57.00 57.69 2ron n GLN 177 Cb 0.57 -5.68 -0.17 0.00 1.02 0.00 0.00 30.24 25.98 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.40 0.03 -0.29 5.09 1.01 -1.26 -5.06 121.20 117.32 2ron s ILE 178 Ca 0.41 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 2ron s ILE 178 Cb -0.06 -0.23 0.14 0.00 0.01 0.00 0.00 42.46 42.32 2ron s ILE 178 CO 0.75 0.18 0.92 0.00 0.00 0.00 0.00 174.94 176.79 2ron s GLN 179 N 1.82 0.42 0.09 2.79 -2.07 -1.26 -2.63 119.66 118.81 2ron s GLN 179 Ca 0.01 0.79 0.00 0.00 -1.82 0.00 0.00 55.36 54.34 2ron s GLN 179 Cb -0.12 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 2ron s GLN 179 CO -0.03 -0.10 0.00 -1.13 -1.32 0.00 0.00 175.29 172.71 2ron n SER 180 N 4.10 -0.78 -3.12 12.60 3.41 -1.26 -4.76 113.62 123.81 2ron n SER 180 Ca -0.17 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2ron n SER 180 Cb 0.56 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ron n PRO 181 N -2.83 0.19 -3.99 4.33 -0.04 -1.26 -3.99 135.00 127.41 2ron n PRO 181 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2ron n PRO 181 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2ron n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ron s VAL 182 N -0.40 0.93 0.07 0.52 1.01 -1.19 -1.80 120.40 119.53 2ron s VAL 182 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2ron s VAL 182 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2ron s VAL 182 CO 0.00 0.34 -0.10 -1.00 0.00 0.00 0.00 175.10 174.34 2ron s HIS 183 N 1.57 0.97 -0.05 5.22 3.76 -0.79 -2.15 115.29 123.83 2ron s HIS 183 Ca 0.02 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 54.36 2ron s HIS 183 Cb -0.13 -0.55 0.04 0.00 1.11 0.00 0.00 32.58 33.05 2ron s HIS 183 CO -0.06 -0.01 0.10 0.08 -0.85 0.00 0.00 174.74 174.00 2ron s VAL 184 N -1.74 -0.06 -0.20 -0.90 1.01 -1.13 -3.60 120.40 113.79 2ron s VAL 184 Ca -0.02 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 2ron s VAL 184 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 2ron s VAL 184 CO 0.01 0.08 -0.02 -0.36 0.00 0.00 0.00 175.10 174.81 2ron s PHE 185 N 1.17 3.00 -0.20 5.22 0.08 -0.01 -2.35 117.98 124.89 2ron s PHE 185 Ca -0.09 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.34 2ron s PHE 185 Cb -0.12 -2.07 0.07 0.00 -0.57 0.00 0.00 43.02 40.33 2ron s PHE 185 CO -0.05 -0.31 0.07 -0.80 -0.10 0.00 0.00 175.22 174.03 2ron s ASN 186 N 1.06 2.82 0.00 1.36 -0.87 -1.19 -0.49 114.94 117.63 2ron s ASN 186 Ca 0.02 -0.84 0.00 0.00 -1.57 0.00 0.00 52.86 50.47 2ron s ASN 186 Cb -0.14 -0.45 0.00 0.00 -0.02 0.00 0.00 41.25 40.64 2ron s ASN 186 CO 0.01 -0.34 0.00 0.61 -2.57 0.00 0.00 177.10 174.80 2ron n GLY 187 N 5.15 -0.74 3.71 0.66 0.00 0.13 -3.63 105.19 110.47 2ron n GLY 187 Ca -0.07 0.43 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 2ron n GLY 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ron n LEU 188 N 0.00 -0.48 0.00 0.99 -0.00 -1.20 -3.18 117.00 113.12 2ron n LEU 188 Ca 0.00 -0.81 0.10 0.00 -0.00 0.00 0.00 56.01 55.30 2ron n LEU 188 Cb 0.00 -0.99 0.50 0.00 -0.00 0.00 0.00 43.42 42.93 2ron n LEU 188 CO 0.00 0.34 0.82 0.47 -0.00 0.00 0.00 177.39 179.02 2ron n ASP 189 N -1.54 0.00 -0.00 1.45 9.92 -1.26 -3.71 116.55 121.42 2ron n ASP 189 Ca -0.18 0.08 -0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2ron n ASP 189 Cb 0.42 -0.32 -0.00 0.00 -0.64 0.00 0.00 41.12 40.57 2ron n ASP 189 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ron n ASP 190 N -1.32 0.06 -4.63 -2.24 9.92 -1.26 0.07 116.55 117.15 2ron n ASP 190 Ca 0.09 0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 54.01 2ron n ASP 190 Cb 0.18 -0.22 -0.10 0.00 -0.64 0.00 0.00 41.12 40.34 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ron s LYS 191 N -1.06 3.95 -0.02 -1.24 2.20 -1.26 -4.12 119.74 118.19 2ron s LYS 191 Ca -0.00 -0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.30 2ron s LYS 191 Cb 0.00 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2ron s LYS 191 CO 0.01 0.28 0.07 1.17 -0.36 0.00 0.00 175.35 176.51 2ron n LYS 192 N 3.51 1.54 -0.13 4.03 4.81 -1.26 -4.63 118.16 126.03 2ron n LYS 192 Ca -0.17 -0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.21 2ron n LYS 192 Cb 0.52 -1.12 0.18 0.00 0.02 0.00 0.00 35.03 34.63 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ron h ILE 194 N 0.80 1.11 0.40 0.00 -0.00 -1.99 -0.44 117.51 117.39 2ron h ILE 194 Ca 0.17 -0.51 -0.02 0.00 -0.00 0.00 0.00 64.86 64.50 2ron h ILE 194 Cb 0.33 1.23 0.00 0.00 -0.00 0.00 0.00 36.82 38.38 2ron h ILE 194 CO 0.00 0.15 -0.19 -0.09 -0.00 0.00 0.00 178.15 178.02 2ron h ARG 195 N 0.05 -0.52 0.00 2.19 9.65 -1.68 -1.81 114.38 122.26 2ron h ARG 195 Ca 0.01 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2ron h ARG 195 Cb 0.25 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2ron h ARG 195 CO 0.02 -0.21 -0.16 0.22 2.80 0.00 0.00 179.97 182.63 2ron h ASP 196 N -0.87 0.00 0.11 -3.80 3.58 -1.44 0.47 116.42 114.47 2ron h ASP 196 Ca -0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2ron h ASP 196 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2ron h ASP 196 CO 0.09 0.16 -0.05 0.00 -2.88 0.00 0.00 179.24 176.56 2ron h ALA 197 N 1.84 -0.58 0.00 -0.78 0.00 -0.98 -1.83 119.26 116.94 2ron h ALA 197 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ron h ALA 197 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ron h ALA 197 CO 0.02 -0.57 0.00 -0.85 0.00 0.00 0.00 179.25 177.86 2ron n GLU 198 N -2.64 0.21 0.03 0.00 0.28 -0.69 -1.85 120.64 115.99 2ron n GLU 198 Ca -0.02 0.06 -0.17 0.00 -0.16 0.00 0.00 57.16 56.87 2ron n GLU 198 Cb 0.06 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.29 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ron h GLY 199 N 4.19 0.25 0.59 -1.84 0.00 -0.12 -3.37 103.07 102.76 2ron h GLY 199 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2ron h GLY 199 CO 0.00 0.55 -1.27 1.87 0.00 0.00 0.00 176.54 177.68 2ron n TRP 200 N -3.39 0.46 -0.22 5.60 -0.00 -0.69 -4.10 117.44 115.11 2ron n TRP 200 Ca -0.22 0.13 0.16 0.00 -0.00 0.00 0.00 57.50 57.58 2ron n TRP 200 Cb 1.05 -0.65 0.48 0.00 -0.00 0.00 0.00 31.31 32.19 2ron n TRP 200 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2ron h LYS 201 N 0.00 0.45 0.00 5.87 5.09 -1.53 0.24 116.57 126.69 2ron h LYS 201 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 2ron h LYS 201 Cb 0.90 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.13 2ron h LYS 201 CO 0.00 0.30 -0.80 0.36 -2.09 0.00 0.00 179.45 177.22 2ron n LYS 202 N -4.51 0.23 -1.86 0.07 2.85 -1.26 -4.94 118.16 108.75 2ron n LYS 202 Ca 0.17 0.03 -0.13 0.00 -1.05 0.00 0.00 58.31 57.32 2ron n LYS 202 Cb 0.59 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.33 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -1.92 -0.82 -4.26 5.58 7.02 0.84 -3.23 117.44 120.65 2ron n TRP 203 Ca 0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.17 2ron n TRP 203 Cb 0.42 -2.72 -0.11 0.00 -2.42 0.00 0.00 31.31 26.48 2ron n TRP 203 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2ron s ALA 204 N -2.36 3.20 -0.12 6.99 0.00 -1.26 -4.55 121.76 123.66 2ron s ALA 204 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 2ron s ALA 204 Cb 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.51 2ron s ALA 204 CO 0.00 0.29 0.12 0.15 0.00 0.00 0.00 175.76 176.32 2ron s LYS 205 N 0.08 0.03 1.03 0.00 3.01 -1.08 -4.92 119.74 117.89 2ron s LYS 205 Ca 0.02 0.24 -0.17 0.00 -1.01 0.00 0.00 55.97 55.05 2ron s LYS 205 Cb -0.13 -1.02 0.03 0.00 -1.01 0.00 0.00 37.83 35.71 2ron s LYS 205 CO 0.02 -0.49 0.00 -0.25 0.51 0.00 0.00 175.35 175.14 2ron n ASP 206 N 5.30 -2.61 -0.11 2.83 9.92 -1.26 -4.54 116.55 126.08 2ron n ASP 206 Ca -0.05 0.11 0.27 0.00 -0.53 0.00 0.00 54.79 54.59 2ron n ASP 206 Cb 0.50 -1.02 0.71 0.00 -0.64 0.00 0.00 41.12 40.67 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2ron h ILE 207 N -1.69 0.38 -2.69 0.53 -0.00 -1.49 -3.31 117.51 109.26 2ron h ILE 207 Ca -0.47 0.00 -0.50 0.00 -0.00 0.00 0.00 64.86 63.88 2ron h ILE 207 Cb 1.32 0.49 -0.39 0.00 -0.00 0.00 0.00 36.82 38.24 2ron h ILE 207 CO 0.34 0.00 -0.76 -0.89 -0.00 0.00 0.00 178.15 176.84 2ron s THR 208 N -4.77 -0.11 -0.04 2.19 2.01 -1.24 -5.05 115.64 108.63 2ron s THR 208 Ca -0.04 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.27 2ron s THR 208 Cb 0.19 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 2ron s THR 208 CO 0.66 -0.70 -0.25 0.72 -0.69 0.00 0.00 174.62 174.36 2ron s PHE 209 N 2.10 2.36 -0.12 4.92 -0.71 -1.25 -1.89 117.98 123.40 2ron s PHE 209 Ca 0.09 -0.58 -0.04 0.00 -1.04 0.00 0.00 56.93 55.36 2ron s PHE 209 Cb -0.16 -1.54 0.06 0.00 -1.21 0.00 0.00 43.02 40.17 2ron s PHE 209 CO -0.35 -0.13 0.19 -1.58 -1.34 0.00 0.00 175.22 172.01 2ron s HIS 210 N -0.37 -0.24 -0.16 3.49 2.46 -1.24 -5.03 115.29 114.20 2ron s HIS 210 Ca 0.03 0.58 -0.08 0.00 0.47 0.00 0.00 55.06 56.07 2ron s HIS 210 Cb -0.12 -0.25 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 2ron s HIS 210 CO 0.01 -0.36 0.11 -1.14 -2.47 0.00 0.00 174.74 170.89 2ron s GLN 211 N 2.32 3.80 -0.12 2.88 0.74 -1.26 -0.83 119.66 127.20 2ron s GLN 211 Ca 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.20 2ron s GLN 211 Cb -0.13 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.77 2ron s GLN 211 CO -0.08 0.48 -0.05 0.12 -0.55 0.00 0.00 175.29 175.21 2ron s PHE 212 N -0.18 1.36 0.09 1.67 5.36 0.36 -5.00 117.98 121.63 2ron s PHE 212 Ca 0.09 -0.72 0.10 0.00 -0.96 0.00 0.00 56.93 55.44 2ron s PHE 212 Cb -0.12 -1.16 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 2ron s PHE 212 CO 0.01 -0.51 -0.24 0.16 -1.46 0.00 0.00 175.22 173.18 2ron s ASP 213 N 1.75 3.43 0.00 6.13 -4.77 -1.26 -0.69 116.67 121.26 2ron s ASP 213 Ca 0.04 -0.63 0.00 0.00 -3.30 0.00 0.00 52.55 48.66 2ron s ASP 213 Cb -0.13 -0.35 0.00 0.00 -1.09 0.00 0.00 42.92 41.35 2ron s ASP 213 CO -0.08 0.21 0.00 0.61 0.70 0.00 0.00 175.17 176.62 2ron n GLY 214 N 1.23 -0.29 0.00 2.12 0.00 -1.19 -4.92 105.19 102.14 2ron n GLY 214 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 1.89 0.87 0.82 -0.02 0.00 -1.18 -4.99 105.19 102.57 2ron n GLY 215 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2ron n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 216 N 0.00 0.00 -1.37 1.61 8.25 0.11 -4.42 115.22 119.40 2ron n HIS 216 Ca 0.00 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.52 2ron n HIS 216 Cb 0.00 -0.14 0.11 0.00 1.12 0.00 0.00 29.99 31.08 2ron n HIS 216 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2ron s MET 217 N -1.10 1.71 0.16 -0.41 0.00 -1.26 -4.78 119.30 113.62 2ron s MET 217 Ca 0.25 0.76 0.16 0.00 0.00 0.00 0.00 55.69 56.86 2ron s MET 217 Cb 0.26 -1.87 0.76 0.00 0.00 0.00 0.00 34.83 33.98 2ron s MET 217 CO -0.07 -1.91 1.51 0.34 0.00 0.00 0.00 175.02 174.88 2ron n PHE 218 N -3.65 0.45 0.05 4.11 7.35 -1.26 -2.28 117.46 122.22 2ron n PHE 218 Ca 0.07 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 2ron n PHE 218 Cb 0.56 -0.82 0.00 0.00 0.35 0.00 0.00 39.48 39.57 2ron n PHE 218 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ron n LEU 219 N -1.93 0.34 -0.14 -2.13 -0.00 -1.26 -4.42 117.00 107.46 2ron n LEU 219 Ca 0.01 0.15 0.27 0.00 -0.00 0.00 0.00 56.01 56.44 2ron n LEU 219 Cb 0.12 -0.03 0.72 0.00 -0.00 0.00 0.00 43.42 44.24 2ron n LEU 219 CO 0.12 -0.51 1.25 0.17 -0.00 0.00 0.00 177.39 178.42 2ron h LEU 220 N 0.00 0.00 0.07 -1.96 8.10 -1.93 0.11 115.31 119.70 2ron h LEU 220 Ca 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.68 2ron h LEU 220 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.48 2ron h LEU 220 CO 0.00 0.00 -1.71 -1.28 -4.11 0.00 0.00 178.44 171.34 2ron h SER 221 N 0.00 0.22 -0.97 0.17 0.87 -1.66 -3.36 113.55 108.82 2ron h SER 221 Ca 0.39 -0.41 0.10 0.00 -1.23 0.00 0.00 61.79 60.64 2ron h SER 221 Cb 1.61 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 63.42 2ron h SER 221 CO -0.00 1.36 0.62 -0.61 -0.53 0.00 0.00 176.83 177.66 2ron h GLN 222 N 0.04 0.98 -4.57 2.24 4.15 -0.91 -3.33 115.11 113.71 2ron h GLN 222 Ca -0.30 -0.06 -0.72 0.00 0.77 0.00 0.00 58.65 58.34 2ron h GLN 222 Cb 2.01 -0.22 -0.21 0.00 0.21 0.00 0.00 27.48 29.27 2ron h GLN 222 CO 0.11 0.65 0.31 0.99 -1.93 0.00 0.00 178.83 178.96 2ron s THR 223 N -5.93 4.99 0.61 2.39 2.01 -0.88 -4.88 115.64 113.96 2ron s THR 223 Ca -0.12 -1.53 0.32 0.00 0.31 0.00 0.00 61.69 60.67 2ron s THR 223 Cb 0.21 -4.57 0.37 0.00 0.01 0.00 0.00 72.50 68.52 2ron s THR 223 CO 0.81 -1.21 2.12 1.05 -0.69 0.00 0.00 174.62 176.70 2ron h GLU 224 N 8.73 0.00 0.50 4.92 4.11 -1.84 -2.29 114.58 128.70 2ron h GLU 224 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2ron h GLU 224 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2ron h GLU 224 CO 1.01 0.00 -0.24 1.49 0.07 0.00 0.00 179.01 181.35 2ron h GLU 225 N 0.00 -0.64 -0.29 1.06 4.81 -1.93 -1.73 114.58 115.86 2ron h GLU 225 Ca 0.06 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2ron h GLU 225 Cb 0.42 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2ron h GLU 225 CO -0.00 -0.35 0.12 0.28 -0.73 0.00 0.00 179.01 178.33 2ron h VAL 226 N -0.87 0.95 -0.44 0.32 2.07 -1.74 0.47 116.25 117.01 2ron h VAL 226 Ca -0.07 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2ron h VAL 226 Cb 0.59 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2ron h VAL 226 CO 0.11 0.05 0.03 0.00 0.02 0.00 0.00 177.57 177.78 2ron h ALA 227 N 1.17 0.44 0.00 1.67 0.00 -1.50 0.51 119.26 121.55 2ron h ALA 227 Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2ron h ALA 227 Cb 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ron h ALA 227 CO -0.11 -0.36 -0.20 1.49 0.00 0.00 0.00 179.25 180.06 2ron h GLU 228 N 0.15 0.00 0.49 0.00 4.57 -0.95 -2.16 114.58 116.67 2ron h GLU 228 Ca 0.22 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2ron h GLU 228 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2ron h GLU 228 CO -0.34 0.20 -0.23 -0.09 -1.18 0.00 0.00 179.01 177.37 2ron h ARG 229 N 0.00 -0.63 -0.79 1.92 2.43 0.12 -0.44 114.38 116.99 2ron h ARG 229 Ca -0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2ron h ARG 229 Cb 0.67 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2ron h ARG 229 CO 0.03 -0.42 0.51 -0.84 -1.51 0.00 0.00 179.97 177.73 2ron h ILE 230 N -1.16 1.21 -0.15 1.20 3.07 -1.19 -1.92 117.51 118.56 2ron h ILE 230 Ca -0.07 -0.41 -0.11 0.00 1.55 0.00 0.00 64.86 65.82 2ron h ILE 230 Cb 0.50 0.06 -0.01 0.00 -0.27 0.00 0.00 36.82 37.10 2ron h ILE 230 CO 0.11 0.21 -0.41 0.15 -1.05 0.00 0.00 178.15 177.16 2ron h PHE 231 N 1.08 0.41 0.57 0.16 3.57 -1.46 -2.16 116.94 119.11 2ron h PHE 231 Ca 0.29 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2ron h PHE 231 Cb -0.09 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.56 2ron h PHE 231 CO 0.00 0.70 -0.27 0.00 -2.23 0.00 0.00 178.31 176.51 2ron h ALA 232 N 1.29 -0.77 -0.71 2.41 0.00 -0.27 -1.48 119.26 119.72 2ron h ALA 232 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2ron h ALA 232 Cb 0.84 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2ron h ALA 232 CO 0.07 -0.90 0.33 0.97 0.00 0.00 0.00 179.25 179.72 2ron h ILE 233 N -0.82 1.23 -0.83 0.00 6.09 -1.51 0.17 117.51 121.84 2ron h ILE 233 Ca -0.08 -0.65 0.02 0.00 -1.37 0.00 0.00 64.86 62.78 2ron h ILE 233 Cb 0.61 0.33 -0.05 0.00 0.47 0.00 0.00 36.82 38.18 2ron h ILE 233 CO 0.13 0.27 0.54 0.25 -3.07 0.00 0.00 178.15 176.28 2ron h LEU 234 N 1.01 0.91 0.00 2.19 5.85 -1.25 0.36 115.31 124.38 2ron h LEU 234 Ca 0.25 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2ron h LEU 234 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2ron h LEU 234 CO -0.03 0.64 -0.52 0.78 -0.34 0.00 0.00 178.44 178.97 2ron h ASN 235 N 1.08 0.00 0.67 1.25 4.21 -0.85 -3.20 115.58 118.74 2ron h ASN 235 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 2ron h ASN 235 Cb -0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 2ron h ASN 235 CO -0.10 0.27 -0.15 0.00 -1.29 0.00 0.00 177.43 176.17 2ron n GLN 236 N -3.06 0.22 -0.31 0.81 6.02 0.58 -4.20 117.38 117.44 2ron n GLN 236 Ca 0.01 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 2ron n GLN 236 Cb 0.65 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.34 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2ron h HIS 237 N 0.15 -1.65 0.00 1.08 2.76 -0.95 -1.78 115.15 114.77 2ron h HIS 237 Ca 0.00 0.11 -0.18 0.00 -2.20 0.00 0.00 60.37 58.10 2ron h HIS 237 Cb 0.44 0.82 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 2ron h HIS 237 CO 0.00 -0.41 0.89 -0.35 -1.30 0.00 0.00 177.93 176.76 2ron n PRO 238 N -5.34 1.27 -4.04 5.26 -0.04 -1.26 -4.59 135.00 126.27 2ron n PRO 238 Ca 0.02 -0.79 -0.27 0.00 -0.04 0.00 0.00 63.50 62.42 2ron n PRO 238 Cb 0.31 -1.97 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 2ron n PRO 238 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2ron n ILE 239 N 3.30 -0.81 -3.83 0.52 -5.35 -0.70 -4.89 119.36 107.60 2ron n ILE 239 Ca 0.27 -0.41 -0.36 0.00 -0.27 0.00 0.00 62.75 61.99 2ron n ILE 239 Cb 0.33 -0.83 -0.07 0.00 -1.74 0.00 0.00 39.64 37.33 2ron n ILE 239 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2ron s ILE 240 N -4.12 5.36 -0.40 7.28 -1.09 -0.98 -5.06 121.20 122.19 2ron s ILE 240 Ca 0.03 0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 2ron s ILE 240 Cb -0.02 -3.39 0.13 0.00 -1.58 0.00 0.00 42.46 37.60 2ron s ILE 240 CO 0.85 0.52 0.21 -1.10 -1.23 0.00 0.00 174.94 174.18 2ron s GLN 241 N -0.24 1.00 0.00 2.79 -0.21 -1.26 -4.59 119.66 117.15 2ron s GLN 241 Ca 0.11 -1.68 0.16 0.00 0.02 0.00 0.00 55.36 53.96 2ron s GLN 241 Cb -0.12 -2.01 0.93 0.00 1.00 0.00 0.00 33.01 32.82 2ron s GLN 241 CO 0.01 -1.15 1.34 -0.35 -2.12 0.00 0.00 175.29 173.02